PUBCHEM-ZINC03746053 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.0570 1.5100 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.0070 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.5320 -1.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3830 -0.1020 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -0.0860 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -2.0480 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.8840 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -4.2780 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -4.8170 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -4.0310 -2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.6270 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -4.9130 -3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -6.2150 -3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -6.1250 -1.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -6.9190 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -7.5140 -3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -7.8240 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -9.0700 -5.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -10.0310 -4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -9.7300 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -8.4750 -2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -10.7250 -2.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -10.4230 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -11.6420 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -11.2820 -5.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -11.5650 -6.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -4.4770 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -3.8970 -5.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -2.6320 -5.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.9910 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.8870 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.8170 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -0.3410 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -0.4330 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -0.3770 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -0.5310 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.0010 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -2.4540 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -4.9130 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -2.0030 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -7.0960 -5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -9.2540 -6.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -8.2170 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -10.2050 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -9.5720 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -11.4630 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -11.8960 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 -12.5140 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -10.8700 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -11.5660 -6.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -12.5710 -6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -5.3070 -5.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -3.7230 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -4.7450 -6.5070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 M CHG 1 54 -1 M END